N-[5-(2-amino-1-hydroxyethyl)-2-hydroxyphenyl]methanesulphonamide → 2-[4-[4-[[2-Hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]piperidin-1-yl]phenyl]acetic acid

반응식

[NH2:18][CH2:19][CH:20]([OH:21])[c:22]1[cH:23][cH:24][c:25]([OH:33])[c:26]([NH:28][S:29](=[O:30])(=[O:31])[CH3:32])[cH:27]1.[O:1]=[C:2]1[CH2:3][CH2:4][N:5]([c:8]2[cH:9][cH:10][c:11]([CH2:14][C:15](=[O:16])[OH:17])[cH:12][cH:13]2)[CH2:6][CH2:7]1>>[CH:2]1([NH:18][CH2:19][CH:20]([OH:21])[c:22]2[cH:23][cH:24][c:25]([OH:33])[c:26]([NH:28][S:29](=[O:30])(=[O:31])[CH3:32])[cH:27]2)[CH2:3][CH2:4][N:5]([c:8]2[cH:9][cH:10][c:11]([CH2:14][C:15](=[O:16])[OH:17])[cH:12][cH:13]2)[CH2:6][CH2:7]1

참가 물질

반응물 2

HCID 9837752N-[5-(2-amino-1-hydroxyethyl)-2-hydroxyphenyl]methanesulphonamide

HCID 10657278[4-(4-Oxo-piperidin-1-yl)-phenyl]-acetic acid

생성물 1

HCID 222203512-[4-[4-[[2-Hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]piperidin-1-yl]phenyl]acetic acid

출처 및 근거

ORD 기록: ord-e22b3d8ac0b74123abd28f93b11adb3e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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